1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine

C11H18N2O — CID 83123998

IUPAC1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3
InChIKeyLXVRMAKWEDQOAN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds2

About 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine

1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine (PubChem CID 83123998) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
PubChem CID83123998
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3
InChIKeyLXVRMAKWEDQOAN-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine (CID 83123998) is 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine is CC(N)c1ccc(OC(C)(C)C)cn1.
What is the InChIKey of 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The InChIKey is LXVRMAKWEDQOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3.
What are the key properties of 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).